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Evaluation of semiconductor/insulator interface structure by crystal model

通过晶体模型评估半导体/绝缘体界面结构

基本信息

批准号：
61460069
负责人：
OHDOMARI Iwao
金额：
$ 3.84万
依托单位：
Waseda University
依托单位国家：
日本
项目类别：
Grant-in-Aid for General Scientific Research (B)
财政年份：
1986
资助国家：
日本
起止时间：
1986 至 1988
项目状态：
已结题

项目摘要

As a means of evaluating semiconductor/insulator interfaces, crystal modeling method is proposed. this crystal model consists of plastic balls and sticks representing atoms and bonds, respectively. inputting the coordinates of atoms based on the crystal model into computer, energy relaxation is carried out calculating keating energy. In order to evaluate an interface, the interface model is first constructed, then the keating of the interface-forming atoms is calculated which in turn gives informations about stability of the interface.As the result of the evaluation of low-index interfaces such as (100),(110) or (111), increasing energy was obtained in the order:(111), (110), (100). The stability of the interfaces decreased in the same order. Particularly, insulator/Si(100) substrate interface was evaluated in several ways, varying the shape of the interface. as the result, a pyramidal-shape interface surrounded by four (111) facets was found to be the most stable interface, which also … More agrees with the result of XPS measurement. Therefore, actual insulator/semiconductor interface is considered to form this type of shape.The interface was also evaluated by DV-Xa method, the energy of each orbital of interfaceforming atoms one of the molecular-orbital methods. Using this method, can be calculated and oxidation reaction at intefaces can be analyzed from electronic structure point of view. as the result, oxidation reaction was found to take place in the inner part of crystal instead of the interface itself.We have also examined the SOI structure formed by L-SPE technique, in which semiconductor crystal is formed on top an insulator layer, giving totally different characteristics to the interface from those of the oxidation interface. Tt the growth front, three-phase boundary region, consisting of c-Si, a-Si and a-SiO_2, is formed. The formation of microtwins is explained in terms of the distortion energy of atoms at the growth front. Also the formation of microtwins at c-Si/SiO_2 interface is explained by the stability of (111) interface. Furthermore, delayed crystal growth in the three-phase region, consisting of c-Si, a-Si and a-SiN, can be attributed to comparatively large lattice mismatch between c-Si and a-SiN. This result is a good agreement with modeling evaluation.As a conclusion, analysis based on modeling method is considered to be valid as far as its agreement with the experimental results is concerned. Less

提出了晶体模型法作为评价半导体/绝缘体界面的一种手段。该晶体模型由分别代表原子和键的塑料球和棒组成。将基于晶体模型的原子坐标输入计算机，进行能量弛豫，计算Keating能。为了评价界面，首先建立界面模型，然后计算界面形成原子的keating，进而给出界面稳定性的信息，对低指数界面如（100），（110）或（111）的评价结果表明，能量的增加顺序为：（111），（110），（100）。界面的稳定性以相同的顺序下降。特别地，绝缘体/Si（100）衬底界面以多种方式评估，改变界面的形状。结果表明，由四个（111）面包围的椭圆形界面是最稳定的界面， ...更多信息与XPS测量结果一致。因此，实际的绝缘体/半导体界面被认为是形成这种类型的形状，界面也被评价的DV-Xa方法，每个轨道的界面形成原子的分子轨道方法之一。利用该方法，可以计算出界面处的氧化反应，并从电子结构的角度分析界面处的氧化反应。结果表明，氧化反应发生在晶体内部，而不是氧化界面本身.我们还研究了用L-SPE技术形成的SOI结构，其中半导体晶体形成在绝缘层上，使界面具有与氧化界面完全不同的特性.在生长前沿，形成由c-Si、a-Si和a-SiO_2组成的三相边界区。微孪晶的形成解释在生长前沿的原子的畸变能。用（111）界面的稳定性解释了c-Si/SiO_2界面微孪晶的形成。此外，在由c-Si、a-Si和a-SiN组成的三相区中的延迟晶体生长可以归因于c-Si和a-SiN之间的相对大的晶格失配。这一结果与模拟评价结果吻合较好，因此，基于模拟方法的分析与实验结果吻合较好。少